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2F7Z
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PROTEIN KINASE A BOUND TO (R)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI, ...
Authors:Li, Q., Woods, K.W., Thomas, S., Zhu, G.D., Packard, G., Fisher, J., Li, T., Gong, J., Dinges, J., Song, X., Abrams, J., Luo, Y., Johnson, E.F., Shi, Y., Liu, X., Klinghofer, V., Des Jong, R., Oltersdorf, T., Stoll, V.S., Jakob, C.G., Rosenberg, S.H., Giranda, V.L.
Deposit date:2005-12-01
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
5EUD
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S1P LYASE BACTERIAL SURROGATE BOUND TO N-(1-(4-(3-HYDROXYPROP-1-YN-1-YL)PHENYL)-2-((4-METHOXY-2,5-DIMETHYLBENZYL)AMINO)ETHYL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
Descriptor:Putative sphingosine-1-phosphate lyase, PHOSPHATE ION, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-[4-(3-oxidanylprop-1-ynyl)phenyl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Argiriadi, M.A., Banach, D., Radziejewska, E., Marchie, S., DiMauro, J., Dinges, J., Dominguez, E., Hutchins, C., Judge, R.A., Queeney, K., Wallace, G., Harris, C.M.
Deposit date:2015-11-18
Release date:2016-03-16
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
5EUE
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S1P LYASE BACTERIAL SURROGATE BOUND TO N-(2-((4-METHOXY-2,5-DIMETHYLBENZYL)AMINO)-1-PHENYLETHYL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
Descriptor:Putative sphingosine-1-phosphate lyase, ~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide, PHOSPHATE ION
Authors:Argiriadi, M.A., Banach, D., Radziejewska, E., Marchie, S., DiMauro, J., Dinges, J., Dominguez, E., Hutchins, C., Judge, R.A., Queeney, K., Wallace, G., Harris, C.M.
Deposit date:2015-11-18
Release date:2016-03-16
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Creation of a S1P Lyase bacterial surrogate for structure-based drug design.
Bioorg.Med.Chem.Lett., 26, 2016
1YSG
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH "SAR BY NMR" LIGANDS
Descriptor:Apoptosis regulator Bcl-X, 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSI
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL IN COMPLEX WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSN
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-XL COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-X, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-08
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSW
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SOLUTION STRUCTURE OF THE ANTI-APOPTOTIC PROTEIN BCL-2 COMPLEXED WITH AN ACYL-SULFONAMIDE-BASED LIGAND
Descriptor:Apoptosis regulator Bcl-2, 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
1YSX
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SOLUTION STRUCTURE OF DOMAIN 3 FROM HUMAN SERUM ALBUMIN COMPLEXED TO AN ANTI-APOPTOTIC LIGAND DIRECTED AGAINST BCL-XL AND BCL-2
Descriptor:Serum albumin, 4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
Authors:Oltersdorf, T., Elmore, S.W., Shoemaker, A.R., Armstrong, R.C., Augeri, D.J., Belli, B.A., Bruncko, M., Deckwerth, T.L., Dinges, J., Hajduk, P.J., Joseph, M.K., Kitada, S., Korsmeyer, S.J., Kunzer, A.R., Letai, A., Li, C., Mitten, M.J., Nettesheim, D.G., Ng, S., Nimmer, P.M., O'Connor, J.M., Oleksijew, A., Petros, A.M., Reed, J.C., Shen, W., Tahir, S.K., Thompson, C.B., Tomaselli, K.J., Wang, B., Wendt, M.D., Zhang, H., Fesik, S.W., Rosenberg, S.H.
Deposit date:2005-02-09
Release date:2005-06-07
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
2F7E
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PKA COMPLEXED WITH (S)-2-(1H-INDOL-3-YL)-1-(5-ISOQUINOLIN-6-YL-PYRIDIN-3-YLOXYMETHYL-ETYLAMINE
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, PKI inhibitory peptide, ...
Authors:Stoll, V.S.
Deposit date:2005-11-30
Release date:2006-06-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
2IRW
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HUMAN 11-BETA-HYDROXYSTEROID DEHYDROGENASE (HSD1) WITH NADP AND ADAMANTANE ETHER INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE
Authors:Longenecker, K.L., Patel, J.R., Russell, J., Qin, W.
Deposit date:2006-10-16
Release date:2007-01-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007